Geometry & MOs

Info

ID:	216918
PubChem CID:	85086985
Reduced:	N2O4C17H20 (1)
Stoich.:	A2B4C17D20 (1)
Weight, g/mol:	316.167459
ΔH_f, kcal/mol:	-141.26
Dipole, Da:	4.44
IP(EA), eV:	-10.28(-1.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(2,4-dimethoxyphenyl)methylidene]-1,3,3-trimethyl-2-oxabicyclo[2.2.2]octan-6-one

Drug info:

PubChemData

Smile

CCCCCCNC(=O)C1C=NC2=C(C1=O)C=C(C=C2)C(=O)O

DOS

IR

Vibrations